| SpectraBase Spectrum ID |
EqmtodWwcXV |
| Name |
6-Aminocaproic acid, N-methoxycarbonyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-27-21(24)18-15-14-16-19-23-22(25)26-2/h3-20H2,1-2H3,(H,23,25) |
| InChIKey |
LDCRPMZRCUOMBX-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
COC(NCCCCCC(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820928 |
